2-pentyl-N,N'-bis(1-phenylethyl)propanediamide

C24H32N2O2 — CID 4295925

IUPAC2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCCCCCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-4-5-8-17-22(23(27)25-18(2)20-13-9-6-10-14-20)24(28)26-19(3)21-15-11-7-12-16-21/h6-7,9-16,18-19,22H,4-5,8,17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKNCJCDJSWFXAAO-UHFFFAOYSA-N
MW380.53 g/mol
LogP4.94
Rot. Bonds10

About 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide

2-pentyl-N,N'-bis(1-phenylethyl)propanediamide (PubChem CID 4295925) has the molecular formula C24H32N2O2 and a molecular weight of 380.53 g/mol. Its IUPAC name is 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide.

Molecular Properties

Compound Name2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
PubChem CID4295925
Molecular FormulaC24H32N2O2
Molecular Weight380.53 g/mol
Exact Mass380.25
IUPAC Name2-pentyl-N,N'-bis(1-phenylethyl)propanediamide
SMILESCCCCCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1
InChIInChI=1S/C24H32N2O2/c1-4-5-8-17-22(23(27)25-18(2)20-13-9-6-10-14-20)24(28)26-19(3)21-15-11-7-12-16-21/h6-7,9-16,18-19,22H,4-5,8,17H2,1-3H3,(H,25,27)(H,26,28)
InChIKeyKNCJCDJSWFXAAO-UHFFFAOYSA-N
XLogP4.94
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.53
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(5R)-5-hydroxy-N-[(1S)-1-phenylethyl]decanamide
CID 11543858
(2S)-2-methyl-N-[(1S)-1-phenylethyl]butanamide
CID 16753350
N-[(1S)-1-phenylethyl]decanamide
CID 98131360
2-benzyl-N,N'-bis(1-phenylethyl)propanediamide
CID 3756499
2,2-dichloro-N-(1-phenylethyl)acetamide
CID 2841890
2-chloro-N-heptan-2-yl-2-phenylacetamide
CID 43578893
butyl N-(1-phenylethyl)carbamate
CID 571821
N-octyl-N'-[(1R)-1-phenylethyl]oxamide
CID 124544737
(2S)-2-amino-N-octan-2-yl-2-phenylacetamide
CID 104897331
(2S)-2-phenyl-N-[(1S)-1-phenylethyl]propanamide
CID 92978612
(2R,3R)-2,3-dihydroxy-N,N'-bis(1-phenylethyl)butanediamide
CID 54419404
1-phenylhexylcarbamic acid
CID 21477897

Frequently Asked Questions

What is the IUPAC name of 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide?
The IUPAC name of 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide (CID 4295925) is 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide.
What is the SMILES notation for 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide?
The canonical SMILES for 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide is CCCCCC(C(=O)NC(C)c1ccccc1)C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide?
The InChIKey is KNCJCDJSWFXAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O2/c1-4-5-8-17-22(23(27)25-18(2)20-13-9-6-10-14-20)24(28)26-19(3)21-15-11-7-12-16-21/h6-7,9-16,18-19,22H,4-5,8,17H2,1-3H3,(H,25,27)(H,26,28).
What are the key properties of 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide?
2-pentyl-N,N'-bis(1-phenylethyl)propanediamide has a molecular weight of 380.53 g/mol, XLogP of 4.94, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentyl-N,N'-bis(1-phenylethyl)propanediamide is sourced from PubChem (CID 4295925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).